CID 116365

Sodium salt of mercury dithiocarbamate piperazine acetic acid

Structural Information

Molecular Formula
C14H22HgN4O4S4
SMILES
C1CN(CCN1CC(=O)O)SC(=S)[Hg]C(=S)SN2CCN(CC2)CC(=O)O
InChI
InChI=1S/2C7H11N2O2S2.Hg/c2*10-7(11)5-8-1-3-9(4-2-8)13-6-12;/h2*1-5H2,(H,10,11);
InChIKey
LZRYGWQAFMGBIE-UHFFFAOYSA-N
Compound name
bis[[4-(carboxymethyl)piperazin-1-yl]sulfanylcarbothioyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.03028 208.7
[M+Na]+ 663.01222 210.8
[M+NH4]+ 658.05682 211.0
[M+K]+ 678.98616 202.0
[M-H]- 639.01572 205.9
[M+Na-2H]- 660.99767 205.1
[M]+ 640.02245 209.0
[M]- 640.02355 209.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.